CID 115384484

Methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
COC(=O)C1=CN2C=CN=C2S1
InChI
InChI=1S/C7H6N2O2S/c1-11-6(10)5-4-9-3-2-8-7(9)12-5/h2-4H,1H3
InChIKey
CTUTYJPDHWNMRT-UHFFFAOYSA-N
Compound name
methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.015 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.022276 135.2
[M+Na]+ 205.004218 147.5
[M-H]- 181.007724 139.0
[M+NH4]+ 200.048823 158.3
[M+K]+ 220.978158 146.1
[M+H-H2O]+ 165.012260 129.8
[M+HCOO]- 227.013201 155.5
[M+CH3COO]- 241.028851 150.3
[M+Na-2H]- 202.989666 138.2
[M]+ 182.01445142 141.8
[M]- 182.01554858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe